SCHEMBL7367876

SCHEMBL7367876

CC(C)(C)OC(=O)[C@@H](N)CC1=CCCN(Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPFFR1 Q9GZQ6 1/20 0.38
▸ NPFFR2 Q9Y5X5 1/20 0.38
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PRMT1 Q99873 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8131706 0.84 ACE (0.46) ACHECYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL594132 0.76 SLC7A5 (0.58) SLC7A5LTA4HMAPT
SCHEMBL1221379 0.76 SLC7A5 (0.58) SLC7A5LTA4HMAPT
SCHEMBL314142 0.76 SLC7A5 (0.58) SLC7A5LTA4HMAPT
Hydrochloric Acid SCHEMBL594131 0.75 SLC7A5 (0.56) SLC7A5LTA4HMAPT
Hydrochloric Acid SCHEMBL237074 0.75 SLC7A5 (0.56) SLC7A5LTA4HMAPT
Hydrochloric Acid SCHEMBL18321716 0.75 SLC7A5 (0.56) SLC7A5LTA4HMAPT
Acetic Acid SCHEMBL7710564 0.75 SLC7A5 (0.56) SLC7A5LTA4HMAPT
Hydrochloric Acid SCHEMBL237073 0.75 SLC7A5 (0.56) SLC7A5LTA4HMAPT
SCHEMBL7390364 0.72 GPR119 (0.49) ACHECYP2D6CYP2C9KMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822934-B1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RES & DEV (IE) 2000-02-09 — — EP disclosed
US-5798352-A Antithrombotic amidinotetrahydropyridylalanine derivatives PFIZER INC. (US) 1998-08-25 — — US disclosed
EP-0822934-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES Pfizer Research and Development Company, N.V./S.A. (IE) 1998-02-11 — — EP disclosed
WO-1996033993-A1 ANTITHROMBOTIC AMIDINOTETRAHYDROPYRIDYLALANINE DERIVATIVES PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1996-10-31 — — WO disclosed
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